1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone

C13H16FNO3 — CID 43227708

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone
SMILESCOc1ccc(F)cc1C(=O)CN1CCOCC1
InChIInChI=1S/C13H16FNO3/c1-17-13-3-2-10(14)8-11(13)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyLZKZAYQRYMSKCL-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.35
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone

1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone (PubChem CID 43227708) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone
PubChem CID43227708
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone
SMILESCOc1ccc(F)cc1C(=O)CN1CCOCC1
InChIInChI=1S/C13H16FNO3/c1-17-13-3-2-10(14)8-11(13)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyLZKZAYQRYMSKCL-UHFFFAOYSA-N
XLogP1.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone (CID 43227708) is 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone is COc1ccc(F)cc1C(=O)CN1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone?
The InChIKey is LZKZAYQRYMSKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-13-3-2-10(14)8-11(13)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone has a molecular weight of 253.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 43227708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).